⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2843552 | 0.52 | — | — | |
| SCHEMBL1767692 | 0.42 | — | — | |
| SCHEMBL1767793 | 0.39 | — | — | |
| Hydrochloric Acid SCHEMBL10484953 | 0.35 | CASP1 (0.44) | — | |
| SCHEMBL175612 | 0.32 | CASP1 (0.50) | — | |
| SCHEMBL2362493 | 0.32 | KDM4E (0.41) | — | |
| SCHEMBL9583239 | 0.32 | CASP1 (0.50) | — | |
| SCHEMBL63148 | 0.32 | — | — | |
| SCHEMBL1300603 | 0.32 | — | — | |
| SCHEMBL8465809 | 0.32 | CASP1 (0.50) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2322960-A1 | Optical film, polarizer and liquid crystal display | JSR Corporation (JP) | 2011-05-18 | — | — | EP | disclosed |